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2-Amino-1-(2-chloro-phenyl)-ethanol 1HCl salt
2-Amino-1-(2-chloro-phenyl)-ethanol 1HCl salt ID: B204061
CAS:40570-86-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(Cl)cccc1)C(O)CN	
FORMULA: C8H10ClNO
MASS: 171.6241
EXACT MASS: 171.0450916
INTERATOMIC DISTANCES

              C   1      C   2      C   3     Cl   4      N   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5974     0.0000 
   C   3    0.6011     1.0375     0.0000 
  Cl   4    1.0377     0.6000     1.1985     0.0000 
   N   5    1.5829     2.0708     1.0333     2.1560     0.0000 
   O   6    1.0399     1.1985     0.6000     1.0375     1.1949     0.0000 
   C   7    0.6000     1.0377     1.0399     1.5865     1.7960     1.5879 
   C   8    1.0375     1.5828     0.5974     1.7959     0.5975     1.0377 
   C   9    1.0375     0.6011     1.5870     1.0399     2.6090     1.7996 
   C  10    1.0377     1.2000     1.5863     1.8000     2.3934     2.0776 
   C  11    1.1985     1.0399     1.7996     1.5879     2.7435     2.1630 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.1985     0.0000 
   C   9    1.1985     2.0750     0.0000 
   C  10    0.5974     1.7959     1.0399     0.0000 
   C  11    1.0375     2.1600     0.6000     0.6011     0.0000 



ATOMIC CHARGES
   C   1    0.0197704157
   C   2    0.0560935502
   C   3    0.1939867493
  Cl   4   -0.0824929700
   N   5   -0.1282183623
   O   6   -0.2166508715
   C   7   -0.0009513086
   C   8    0.1466519124
   C   9    0.0111543754
   C  10   -0.0001908633
   C  11    0.0008473728


BOND ANGLES
   2    1    3  Car  Car   C3    119.917
   2    1    7  Car  Car  Car    120.145
   3    1    7   C3  Car  Car    119.939
   1    2    4  Car  Car   Cl    120.145
   1    2    9  Car  Car  Car    119.917
   4    2    9   Cl  Car  Car    119.939
   1    3    6  Car   C3   O3    119.939
   1    3    8  Car   C3   C3    119.917
   6    3    8   O3   C3   C3    120.145
   1    7   10  Car  Car  Car    120.145
   3    8    5   C3   C3   N3    119.716
   2    9   11  Car  Car  Car    119.939
   7   10   11  Car  Car  Car    119.917
   9   11   10  Car  Car  Car    119.939


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    7    179.974
   9    2    1    3    179.974
   9    2    1    7      0.026
   6    3    1    2      0.026
   6    3    1    7    179.974
   8    3    1    2    179.974
   8    3    1    7      0.026
  10    7    1    2      0.026
  10    7    1    3    179.974
   5    8    3    1    179.974
   5    8    3    6      0.026
  11    9    2    1      0.026
  11    9    2    4    179.974
  11   10    7    1      0.026
  10   11    9    2      0.026
   7   10   11    9      0.026


CHIRAL ATOMS
   7   10   11    9      0.026